3-Carboxy-1-methylpyridinium
TL;DR: 3-Carboxy-1-methylpyridinium (CAS 7164-65-0) is a chemical compound with molecular formula C7H8NO2+ and molecular weight 138.0555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylpyridin-1-ium-3-carboxylic acid
Also Known As: Trigonelline, N-Methylnicotinic acid, Caffearine, Coffearine, Trigenelline
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8NO2+ |
| Molecular Weight | 138.0555 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 41.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0555 Da |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| SMILES | C[N+]1=CC=CC(=C1)C(=O)O |
| InChIKey | WWNNZCOKKKDOPX-UHFFFAOYSA-O |
Product Description
Applications: 3-Carboxy-1-methylpyridinium is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Carboxy-1-methylpyridinium (CAS 7164-65-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3-Carboxy-1-methylpyridinium (CAS 7164-65-0) has the molecular formula C7H8NO2+ and a molecular weight of 138.06 g/mol. It is also known as Trigonelline and N-Methylnicotinic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Carboxy-1-methylpyridinium
Property Insights of 3-Carboxy-1-methylpyridinium
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-1-methylpyridinium. With a topological polar surface area (TPSA) of 41.2 Ų, 3-Carboxy-1-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carboxy-1-methylpyridinium has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Carboxy-1-methylpyridinium?
The CAS number of 3-Carboxy-1-methylpyridinium is 7164-65-0.
What is the molecular formula of 3-Carboxy-1-methylpyridinium?
The molecular formula of 3-Carboxy-1-methylpyridinium is C7H8NO2+.
What is the molecular weight of 3-Carboxy-1-methylpyridinium?
The molecular weight of 3-Carboxy-1-methylpyridinium is 138.0555 g/mol.
What are the applications of 3-Carboxy-1-methylpyridinium?
3-Carboxy-1-methylpyridinium is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-Carboxy-1-methylpyridinium?
You can request a quote for 3-Carboxy-1-methylpyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carboxy-1-methylpyridinium?
Yes, CoreyChem provides custom synthesis services for 3-Carboxy-1-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.